4-[(5-fluoranyl-2-methoxy-phenyl)methyl]-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide

Systemtic Name: 4-[(5-fluoranyl-2-methoxy-phenyl)methyl]-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide Openeye Name: 4-[(5-fluoro-2-methoxy-phenyl)methyl]-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide CAS Name: 4-[(5-fluoro-2-methoxyphenyl)methyl]-N-(3-methoxyphenyl)-1-piperazin-4-iumcarbothioamide IUPAC Name: 4-[(5-fluoro-2-methoxyphenyl)methyl]-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide Traditional Name: 4-(5-fluoro-2-methoxy-benzyl)-N-(3-methoxyphenyl)piperazin-4-ium-1-carbothioamide Formula: C20H25FN3O2S+ MolecularWeight: 390.494803

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=S)NC3=CC(=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)F)C[NH+]2CCN(CC2)C(=S)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H24FN3O2S/c1-25-18-5-3-4-17(13-18)22-20(27)24-10-8-23(9-11-24)14-15-12-16(21)6-7-19(15)26-2/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,27)/p+1